CID 210735

Piperazine, 4-methyl-1-(1-(1-naphtyl)cyclohexyl)-, hydrochloride

Structural Information

Molecular Formula
C21H28N2
SMILES
CN1CCN(CC1)C2(CCCCC2)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C21H28N2/c1-22-14-16-23(17-15-22)21(12-5-2-6-13-21)20-11-7-9-18-8-3-4-10-19(18)20/h3-4,7-11H,2,5-6,12-17H2,1H3
InChIKey
CAKVXMJMRCCPTQ-UHFFFAOYSA-N
Compound name
1-methyl-4-(1-naphthalen-1-ylcyclohexyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.22525 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.23253 179.1
[M+Na]+ 331.21447 181.9
[M-H]- 307.21797 184.4
[M+NH4]+ 326.25907 192.7
[M+K]+ 347.18841 175.8
[M+H-H2O]+ 291.22251 166.8
[M+HCOO]- 353.22345 190.6
[M+CH3COO]- 367.23910 186.7
[M+Na-2H]- 329.19992 181.5
[M]+ 308.22470 169.5
[M]- 308.22580 169.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.